iridium;pyrrolidin-1-ide-2-carboxylic acid

C5H8IrNO2- — CID 58958811

IUPACiridium;pyrrolidin-1-ide-2-carboxylic acid
SMILESO=C(O)C1CCC[N-]1.[Ir]
InChIInChI=1S/C5H8NO2.Ir/c7-5(8)4-2-1-3-6-4;/h4H,1-3H2,(H,7,8);/q-1;
InChIKeyISHOISBDTVEPJH-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.60
Rot. Bonds1

About iridium;pyrrolidin-1-ide-2-carboxylic acid

iridium;pyrrolidin-1-ide-2-carboxylic acid (PubChem CID 58958811) has the molecular formula C5H8IrNO2- and a molecular weight of 306.34 g/mol. Its IUPAC name is iridium;pyrrolidin-1-ide-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;pyrrolidin-1-ide-2-carboxylic acid
PubChem CID58958811
Molecular FormulaC5H8IrNO2-
Molecular Weight306.34 g/mol
Exact Mass307.02
IUPAC Nameiridium;pyrrolidin-1-ide-2-carboxylic acid
SMILESO=C(O)C1CCC[N-]1.[Ir]
InChIInChI=1S/C5H8NO2.Ir/c7-5(8)4-2-1-3-6-4;/h4H,1-3H2,(H,7,8);/q-1;
InChIKeyISHOISBDTVEPJH-UHFFFAOYSA-N
XLogP0.60
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iridium;pyrrolidin-1-ide-2-carboxylic acid?
The IUPAC name of iridium;pyrrolidin-1-ide-2-carboxylic acid (CID 58958811) is iridium;pyrrolidin-1-ide-2-carboxylic acid.
What is the SMILES notation for iridium;pyrrolidin-1-ide-2-carboxylic acid?
The canonical SMILES for iridium;pyrrolidin-1-ide-2-carboxylic acid is O=C(O)C1CCC[N-]1.[Ir].
What is the InChIKey of iridium;pyrrolidin-1-ide-2-carboxylic acid?
The InChIKey is ISHOISBDTVEPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO2.Ir/c7-5(8)4-2-1-3-6-4;/h4H,1-3H2,(H,7,8);/q-1;.
What are the key properties of iridium;pyrrolidin-1-ide-2-carboxylic acid?
iridium;pyrrolidin-1-ide-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pyrrolidin-1-ide-2-carboxylic acid is sourced from PubChem (CID 58958811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).